Basic information
- Standard SMILES
C=CCNc1nc(NCCCCCCCCCCCC)c2cc([N+](=O)[O-])ccc2n1- InChIKey
WPXVSTMTJCJSCM-UHFFFAOYSA-N- Molecular formula
- C23H35N5O2
- Average molar mass
- 413.6 g/mol
Names & identifiers
- Preferred name
- 2-Allylamino-4-dodecylamino-6-nitroquinazoline
- IUPAC
- 4-N-dodecyl-6-nitro-2-N-prop-2-enylquinazoline-2,4-diamine
Names & synonyms
SCHEMBL7681167WPXVSTMTJCJSCM-UHFFFAOYSA-N2-Allylamino-4-dodecylamino-6-nitroquinazoline
Database identifiers
- PubChem CID
- 18326548
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 485
Related reactions
2 records
Compound notes
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